Compound C18H21NS2

2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylsulfanyl)-N,N-dimethylethanamine

CAS: 54492-21-6

Molecular Formula	`C18H21NS2`
Molecular Weight	315.5 g/mol
LogP	4.2
Topological Polar Surface Area	53.8 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	4
Exact Mass	315.11154
Heavy Atoms	21
Complexity	320.0

Chemical Identifiers

CAS Number	54492-21-6
SMILES	`CN(C)CCSC1C2=CC=CC=C2CSC3=CC=CC=C13`
InChIKey	`URTZTFXEBYPGOC-UHFFFAOYSA-N`

📖 Product Overview

Compound C18H21NS2 (CAS: 54492-21-6) is a chemical compound with molecular formula C18H21NS2 and molecular weight 315.5 g/mol. Its IUPAC systematic name is 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylsulfanyl)-N,N-dimethylethanamine. LogP 4.2 Topological Polar Surface Area 53.8 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 4 Exact Mass 315.11154 Heavy Atoms 21 Complexity 320.0 InChI Key: URTZTFXEBYPGOC-UHFFFAOYSA-N. SMILES: CN(C)CCSC1C2=CC=CC=C2CSC3=CC=CC=C13.

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